2-(3,5-dimethyl-1-adamantyl)-N-[2-[(4-methylsulfonylphenyl)methyl]-1-oxidanylidene-isoquinolin-5-yl]ethanamide

Systemtic Name: 2-(3,5-dimethyl-1-adamantyl)-N-[2-[(4-methylsulfonylphenyl)methyl]-1-oxidanylidene-isoquinolin-5-yl]ethanamide Openeye Name: 2-(3,5-dimethyl-1-adamantyl)-N-[2-[(4-methylsulfonylphenyl)methyl]-1-oxo-5-isoquinolyl]acetamide CAS Name: 2-(3,5-dimethyl-1-adamantyl)-N-[2-[(4-methylsulfonylphenyl)methyl]-1-oxo-5-isoquinolinyl]acetamide IUPAC Name: 2-(3,5-dimethyl-1-adamantyl)-N-[2-[(4-methylsulfonylphenyl)methyl]-1-oxoisoquinolin-5-yl]acetamide Traditional Name: 2-(3,5-dimethyl-1-adamantyl)-N-[1-keto-2-(4-mesylbenzyl)-5-isoquinolyl]acetamide Formula: C31H36N2O4S MolecularWeight: 532.69354

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC3CC(C1)(CC(C3)(C2)CC(=O)NC4=CC=CC5=C4C=CN(C5=O)CC6=CC=C(C=C6)S(=O)(=O)C)C

Isomeric SMILES

CC12CC3CC(C1)(CC(C3)(C2)CC(=O)NC4=CC=CC5=C4C=CN(C5=O)CC6=CC=C(C=C6)S(=O)(=O)C)C

InChI

InChI=1S/C31H36N2O4S/c1-29-13-22-14-30(2,18-29)20-31(15-22,19-29)16-27(34)32-26-6-4-5-25-24(26)11-12-33(28(25)35)17-21-7-9-23(10-8-21)38(3,36)37/h4-12,22H,13-20H2,1-3H3,(H,32,34)